SCHEMBL402664

SCHEMBL402664

C[C@@H](O)[C@H](NC(=O)c1ccc(COc2ccc(OC(F)(F)F)cc2)cc1)C(=O)NO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
ADAM17 P78536 2/20 0.48
MMP1 P03956 1/20 0.48
MMP14 P50281 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 1/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB10 P40306 1/20 0.45
PSMB2 P49721 1/20 0.45
GRM5 P41594 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13654310 0.90 PPARG (0.49) PPARGEPHX2NR1H4
SCHEMBL403847 0.90 PPARG (0.49) PPARGEPHX2NR1H4
SCHEMBL404729 0.90 PPARG (0.49) PPARGEPHX2NR1H4
SCHEMBL403690 0.87 PPARG (0.46) PPARGMMP2MMP9
SCHEMBL14373721 0.86 PPARG (0.46) PPARGCYP19A1CYP11B1CYP11B2MRGPRX4
SCHEMBL254722 0.86 PPARG (0.52) PPARGPSMB1PSMB8PSMB9PSMB5
SCHEMBL400807 0.86 ACACB (0.50) PPARG
SCHEMBL254370 0.86 PPARG (0.52) PPARGPSMB1PSMB8PSMB9PSMB5
SCHEMBL401188 0.82 MRGPRX4 (0.45) PPARGMRGPRX4
SCHEMBL1096073 0.81 CAPN1 (0.43) PPARGMMP2MMP9ADAM17MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CYP19A1 1128/4885CYP11B1 724/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885CYP19A1 1128/4885CYP11B1 724/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885CYP19A1 1128/4885CYP11B1 724/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885CYP19A1 1128/4885CYP11B1 724/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.